5-[(E)-2-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylic acid

C22H15F6N3O3 — CID 142327250

IUPAC5-[(E)-2-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylic acid
SMILESCc1cc(C(F)(F)F)cc(C2(C(F)(F)F)CC(/C=C/c3ccc(C(=O)O)c4cncn34)=NO2)c1
InChIInChI=1S/C22H15F6N3O3/c1-12-6-13(8-14(7-12)21(23,24)25)20(22(26,27)28)9-15(30-34-20)2-3-16-4-5-17(19(32)33)18-10-29-11-31(16)18/h2-8,10-11H,9H2,1H3,(H,32,33)/b3-2+
InChIKeyLOTFAEXFEHORSW-NSCUHMNNSA-N
MW483.37 g/mol
LogP5.61
Rot. Bonds4

About 5-[(E)-2-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylic acid

5-[(E)-2-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylic acid (PubChem CID 142327250) has the molecular formula C22H15F6N3O3 and a molecular weight of 483.37 g/mol. Its IUPAC name is 5-[(E)-2-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name5-[(E)-2-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylic acid
PubChem CID142327250
Molecular FormulaC22H15F6N3O3
Molecular Weight483.37 g/mol
Exact Mass483.10
IUPAC Name5-[(E)-2-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylic acid
SMILESCc1cc(C(F)(F)F)cc(C2(C(F)(F)F)CC(/C=C/c3ccc(C(=O)O)c4cncn34)=NO2)c1
InChIInChI=1S/C22H15F6N3O3/c1-12-6-13(8-14(7-12)21(23,24)25)20(22(26,27)28)9-15(30-34-20)2-3-16-4-5-17(19(32)33)18-10-29-11-31(16)18/h2-8,10-11H,9H2,1H3,(H,32,33)/b3-2+
InChIKeyLOTFAEXFEHORSW-NSCUHMNNSA-N
XLogP5.61
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.37
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(E)-2-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylic acid with MolForge

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Related Compounds

Imidazo(1,2-a)pyridine-6-carboxylic acid, 3-(2-(dimethylamino)-2-oxoethyl)-2-(4-methylphenyl)-
CID 13691338
2-Imidazol-1-ylmethyl-1,3-dimethyl-1H-indole-5-carboxylic acid
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2-[4-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-ylmethyl)-phenyl]-nicotinic acid
CID 44320733
1-(4-Carboxy-2-methylphenyl)-5-(4-(1H-imidazol-1-yl)phenyl)-1H-pyrrole-2-propanoic acid
CID 70691617
4-(2-ethyl-3H-imidazo[4,5-b]pyridin-3-yl)benzoic acid
CID 20887719
US10273222, Example 4
CID 86268885
US10273222, Example 5
CID 86269077
US10273222, Example 91
CID 86269083
US10273222, Example 92
CID 86269285
US10273222, Example 93
CID 86269286
US10273222, Example 96
CID 86269289
US10273222, Example 98
CID 86269291

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylic acid?
The IUPAC name of 5-[(E)-2-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylic acid (CID 142327250) is 5-[(E)-2-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 5-[(E)-2-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylic acid?
The canonical SMILES for 5-[(E)-2-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylic acid is Cc1cc(C(F)(F)F)cc(C2(C(F)(F)F)CC(/C=C/c3ccc(C(=O)O)c4cncn34)=NO2)c1.
What is the InChIKey of 5-[(E)-2-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylic acid?
The InChIKey is LOTFAEXFEHORSW-NSCUHMNNSA-N. The full InChI is InChI=1S/C22H15F6N3O3/c1-12-6-13(8-14(7-12)21(23,24)25)20(22(26,27)28)9-15(30-34-20)2-3-16-4-5-17(19(32)33)18-10-29-11-31(16)18/h2-8,10-11H,9H2,1H3,(H,32,33)/b3-2+.
What are the key properties of 5-[(E)-2-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylic acid?
5-[(E)-2-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylic acid has a molecular weight of 483.37 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 142327250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).